Information card for entry 7208145

Structure parameters

• Formula: C27 H21 N O2
• Calculated formula: C27 H21 N O2
• SMILES: c1(ccccc1)N(c1ccccc1)c1ccc(cc1)/C=C/c1ccc(cc1)C(=O)O
• Title of publication: Ultra-fast co-sensitization and tri-sensitization of dye-sensitized solar cells with N719, SQ1 and triarylamine dyes
• Authors of publication: Holliman, Peter J.; Mohsen, Moneer; Connell, Arthur; Davies, Matthew L.; Al-Salihi, Kareem; Pitak, Mateusz B.; Tizzard, Graham J.; Coles, Simon J.; Harrington, Ross W.; Clegg, William; Serpa, Carlos; Fontes, Octávio H.; Charbonneau, Cecile; Carnie, Matthew J.
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2012
• Journal volume: 22
• Journal issue: 26
• Pages of publication: 13318
• a: 17.1248 ± 0.0005 Å
• b: 9.6815 ± 0.0002 Å
• c: 12.9988 ± 0.0003 Å
• α: 90°
• β: 110.727 ± 0.002°
• γ: 90°
• Cell volume: 2015.63 ± 0.09 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0684
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1038
• Weighted residual factors for all reflections included in the refinement: 0.1141
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No